| General Property |
| Molceule ID (DB) | EGIN0002636 |
| Inhibitor Class | Amino-salicylate |
| Molecule Name in Refrence Article | LAVENDUSTIN A |
| IUPAC Name | 5-{[(2,5-dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino}-2-hydroxybenzoic acid |
| Formula | C21H19NO6 |
| Mass | 381.3787 |
| Exact Mass | 381.1212373 |
| Composition | C (66.13%), H (5.02%), N (3.67%), O (25.17%) |
| Atom Count | 47 |
| PI | 2.59 |
| Smiles | c1(cc(N(Cc2c(ccc(c2)O)O)Cc2c(O)cccc2)ccc1O)C(=O)O |
| InChI | 1S/C21H19NO6/c23-16-6-8-19(25)14(9-16)12-22(11-13-3-1-2-4-18(13)24)15-5-7-20(26)17(10-15)21(27)28/h1
-10,23-26H,11-12H2,(H,27,28) |
| InChIKey | ULTTYPMRMMDONC-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 7990108 | 8105084 | 16279804 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | p56lck | |
| Pub Chem Link |
3894
|
| Drug Bank Link | - |
| ChemSpider Link | 3757 |
| ChEMBL Link | CHEMBL103552 |
